SCHEMBL2836972

SCHEMBL2836972

CCN1Cc2ccoc2C(Oc2ccc(C(N)=O)cc2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPK1 P28482 1/20 0.33
OPRK1 P41145 6/20 0.32
OPRM1 P35372 6/20 0.32
KCNH2 Q12809 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
HTR2A P28223 1/20 0.31
OPRD1 P41143 3/20 0.31
HTR4 Q13639 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2835554 0.87 ALDH1A1 (0.33) SLC6A4SLC6A2SLC6A3OPRK1OPRM1
SCHEMBL2842973 0.80 TPH1 (0.34) SLC6A4SLC6A2SLC6A3MAPK1OPRK1
SCHEMBL2835996 0.76 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL2844559 0.73 OPRD1 (0.37) SLC6A4SLC6A2SLC6A3ALDH1A1HPGD
SCHEMBL2840993 0.72 OPRD1 (0.36) OPRK1OPRM1KCNH2UTS2ROPRD1
SCHEMBL2840919 0.70 UTS2R (0.36) SLC6A4SLC6A2SLC6A3OPRK1OPRM1
Hydrochloric Acid SCHEMBL2840295 0.69 UTS2R (0.35) SLC6A4SLC6A2SLC6A3OPRK1OPRM1
Hydrochloric Acid SCHEMBL2839679 0.69 OPRK1 (0.42) OPRK1KCNH2UTS2RHTR4
Hydrochloric Acid SCHEMBL2836634 0.67 OPRK1 (0.33) OPRK1OPRM1KCNH2UTS2ROPRD1
SCHEMBL2839392 0.66 ALDH1A1 (0.34) SLC6A4SLC6A2SLC6A3OPRK1OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 SLC6A4 185/4885SLC6A2 196/4885SLC6A3 118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.